N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline

C73H55N3 — CID 118359961

About N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline

N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline (PubChem CID 118359961) has the molecular formula C73H55N3 and a molecular weight of 974.26 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
• PubChem CID: 118359961
• Molecular Formula: C73H55N3
• Molecular Weight: 974.26 g/mol
• Exact Mass: 973.44
• IUPAC Name: N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
• SMILES: c1ccc(C(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C73H55N3/c1-7-19-61(20-8-1)73(62-35-31-55(32-36-62)57-39-47-69(48-40-57)74(64-21-9-2-10-22-64)65-23-11-3-12-24-65)63-37-33-56(34-38-63)58-41-51-71(52-42-58)76(68-29-17-6-18-30-68)72-53-45-60(46-54-72)59-43-49-70(50-44-59)75(66-25-13-4-14-26-66)67-27-15-5-16-28-67/h1-54,73H
• InChIKey: ABPLGIJUOKYRLJ-UHFFFAOYSA-N
• XLogP: 20.28
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.26
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline?

The IUPAC name of N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline (CID 118359961) is N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline is c1ccc(C(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline?

The InChIKey is ABPLGIJUOKYRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55N3/c1-7-19-61(20-8-1)73(62-35-31-55(32-36-62)57-39-47-69(48-40-57)74(64-21-9-2-10-22-64)65-23-11-3-12-24-65)63-37-33-56(34-38-63)58-41-51-71(52-42-58)76(68-29-17-6-18-30-68)72-53-45-60(46-54-72)59-43-49-70(50-44-59)75(66-25-13-4-14-26-66)67-27-15-5-16-28-67/h1-54,73H.

What are the key properties of N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline?

N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline has a molecular weight of 974.26 g/mol, XLogP of 20.28, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline is sourced from PubChem (CID 118359961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).